disodium;4-[2-(4-oxidophenyl)propan-2-yl]phenolate

C15H14Na2O2 — CID 17127

IUPACdisodium;4-[2-(4-oxidophenyl)propan-2-yl]phenolate
SMILESCC(C)(c1ccc([O-])cc1)c1ccc([O-])cc1.[Na+].[Na+]
InChIInChI=1S/C15H16O2.2Na/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;;/h3-10,16-17H,1-2H3;;/q;2*+1/p-2
InChIKeyWGMBWDBRVAKMOO-UHFFFAOYSA-L
MW272.26 g/mol
LogP-3.83
Rot. Bonds2

About disodium;4-[2-(4-oxidophenyl)propan-2-yl]phenolate

disodium;4-[2-(4-oxidophenyl)propan-2-yl]phenolate (PubChem CID 17127) has the molecular formula C15H14Na2O2 and a molecular weight of 272.26 g/mol. Its IUPAC name is disodium;4-[2-(4-oxidophenyl)propan-2-yl]phenolate.

Molecular Properties

Compound Namedisodium;4-[2-(4-oxidophenyl)propan-2-yl]phenolate
PubChem CID17127
Molecular FormulaC15H14Na2O2
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Namedisodium;4-[2-(4-oxidophenyl)propan-2-yl]phenolate
SMILESCC(C)(c1ccc([O-])cc1)c1ccc([O-])cc1.[Na+].[Na+]
InChIInChI=1S/C15H16O2.2Na/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;;/h3-10,16-17H,1-2H3;;/q;2*+1/p-2
InChIKeyWGMBWDBRVAKMOO-UHFFFAOYSA-L
XLogP-3.83
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-3.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of disodium;4-[2-(4-oxidophenyl)propan-2-yl]phenolate?
The IUPAC name of disodium;4-[2-(4-oxidophenyl)propan-2-yl]phenolate (CID 17127) is disodium;4-[2-(4-oxidophenyl)propan-2-yl]phenolate.
What is the SMILES notation for disodium;4-[2-(4-oxidophenyl)propan-2-yl]phenolate?
The canonical SMILES for disodium;4-[2-(4-oxidophenyl)propan-2-yl]phenolate is CC(C)(c1ccc([O-])cc1)c1ccc([O-])cc1.[Na+].[Na+].
What is the InChIKey of disodium;4-[2-(4-oxidophenyl)propan-2-yl]phenolate?
The InChIKey is WGMBWDBRVAKMOO-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H16O2.2Na/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;;/h3-10,16-17H,1-2H3;;/q;2*+1/p-2.
What are the key properties of disodium;4-[2-(4-oxidophenyl)propan-2-yl]phenolate?
disodium;4-[2-(4-oxidophenyl)propan-2-yl]phenolate has a molecular weight of 272.26 g/mol, XLogP of -3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;4-[2-(4-oxidophenyl)propan-2-yl]phenolate is sourced from PubChem (CID 17127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).